The oxidized form of nicotinamide adenine dinucleotide

Abstract

The crystal structure of the free acid form of NAD+ tetrahydrate (nicotin­amide adenine dinucleotide tetrahydrate or 3-carbamoyl-1-β-d-ribo­furan­osyl­pyridinium hydro­xide 5′-ester with adenosine 5′-pyrophosphate inner salt tetrahydrate, C21H27N7O14P2·4H2O) has been determined at 100 K. NAD+ is the coenzyme of several protein families and plays a dominant role in biological redox processes. In this study, the mol­ecule shows a different conformation from the one usually found in holoenzyme complexes.